methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate

C10H14N2O3 — CID 156589548

IUPACmethyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCC1C(C)=NC(=O)N=C1C
InChIInChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)15-3)7(2)12-10(14)11-6/h8H,4-5H2,1-3H3
InChIKeyKZYCQBVUIOXANM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.61
Rot. Bonds3

About methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate

methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate (PubChem CID 156589548) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate
PubChem CID156589548
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)CCC1C(C)=NC(=O)N=C1C
InChIInChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)15-3)7(2)12-10(14)11-6/h8H,4-5H2,1-3H3
InChIKeyKZYCQBVUIOXANM-UHFFFAOYSA-N
XLogP1.61
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-methoxycarbonylimino-3-(oxan-4-yl)propanoate
CID 123613685
Methyl 2-methyliminocyclopentane-1-carboxylate
CID 139895330
Methyl 2-ethyliminocyclopentane-1-carboxylate
CID 139895361
methyl 6-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)hexanoate
CID 178257144

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate (CID 156589548) is methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate is COC(=O)CCC1C(C)=NC(=O)N=C1C.
What is the InChIKey of methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate?
The InChIKey is KZYCQBVUIOXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)15-3)7(2)12-10(14)11-6/h8H,4-5H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate?
methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethyl-2-oxo-5H-pyrimidin-5-yl)propanoate is sourced from PubChem (CID 156589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).